117678
  -OEChem-04282423142D

 66 68  0     1  0  0  0  0  0999 V2000
    7.7331    2.3369    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3671    1.9709    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.8369    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.6631    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4058    4.5582    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.6631    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4184    3.6733    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    1.3369    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -0.6631    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -1.6631    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4023    4.4842    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -3.6631    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -4.6631    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6947    1.8187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -3.6631    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.6631    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    2.8369    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.1979    3.5801    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.2844    3.1733    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.7331    1.3369    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.3889    2.1788    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.5991    0.8369    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.8671   -0.1631    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.5991   -0.1631    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.7331   -0.6631    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.6102    3.5060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.6631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.1631    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.1350   -3.1631    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2690   -3.6631    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.6458    1.5097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -3.1631    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4030   -2.1631    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.5369   -1.6631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7968    3.7405    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3168    3.7925    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.6469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5494    1.5799    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    1.4569    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.1469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1360    0.1469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2700   -0.9731    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9388    2.9803    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1851    3.7383    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7890   -0.0805    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3905   -0.7707    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.5431    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -3.7831    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.9731    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3547    0.9623    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1343    1.1280    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -3.7831    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.5431    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9451    4.9731    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4184    4.2933    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0021    1.0269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -1.2831    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2700   -1.9731    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9264   -1.5554    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3249   -2.2457    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8630    4.8991    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380   -3.3531    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.9731    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.3531    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2340    1.4038    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.3531    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 17  1  1  6  0  0  0
 20  1  1  6  0  0  0
  2 17  1  0  0  0  0
  2 21  1  0  0  0  0
  3 20  1  0  0  0  0
  3 23  1  0  0  0  0
  4 27  1  0  0  0  0
 28  4  1  1  0  0  0
 18  5  1  6  0  0  0
  5 54  1  0  0  0  0
  6 28  1  0  0  0  0
  6 33  1  0  0  0  0
 19  7  1  1  0  0  0
  7 55  1  0  0  0  0
 22  8  1  6  0  0  0
  8 56  1  0  0  0  0
 24  9  1  1  0  0  0
  9 57  1  0  0  0  0
 25 10  1  6  0  0  0
 10 58  1  0  0  0  0
 11 26  1  0  0  0  0
 11 61  1  0  0  0  0
 29 12  1  6  0  0  0
 12 62  1  0  0  0  0
 30 13  1  1  0  0  0
 13 63  1  0  0  0  0
 14 31  1  0  0  0  0
 14 65  1  0  0  0  0
 32 15  1  6  0  0  0
 15 64  1  0  0  0  0
 16 34  1  0  0  0  0
 16 66  1  0  0  0  0
 17 18  1  0  0  0  0
 17 26  1  0  0  0  0
 18 19  1  0  0  0  0
 18 35  1  0  0  0  0
 19 21  1  0  0  0  0
 19 36  1  0  0  0  0
 20 22  1  0  0  0  0
 20 37  1  0  0  0  0
 21 31  1  6  0  0  0
 21 38  1  0  0  0  0
 22 24  1  0  0  0  0
 22 39  1  0  0  0  0
 23 25  1  0  0  0  0
 23 27  1  1  0  0  0
 23 40  1  0  0  0  0
 24 25  1  0  0  0  0
 24 41  1  0  0  0  0
 25 42  1  0  0  0  0
 26 43  1  0  0  0  0
 26 44  1  0  0  0  0
 27 45  1  0  0  0  0
 27 46  1  0  0  0  0
 28 29  1  0  0  0  0
 28 47  1  0  0  0  0
 29 30  1  0  0  0  0
 29 48  1  0  0  0  0
 30 32  1  0  0  0  0
 30 49  1  0  0  0  0
 31 50  1  0  0  0  0
 31 51  1  0  0  0  0
 32 33  1  0  0  0  0
 32 52  1  0  0  0  0
 33 34  1  1  0  0  0
 33 53  1  0  0  0  0
 34 59  1  0  0  0  0
 34 60  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
117678

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
655

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
16

> <PUBCHEM_CACTVS_HBOND_DONOR>
11

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
8

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB4PgAAAAAAAAAAAAAAAAAAASAAAAAkSAAAAAAAAAAAAAAAGgAACAAACBSwgAMACAAABgAAAAAAAAAAAAAAAAAAAAAAAAAREAIAAAAiQAAFAAAHAAHAYAwAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(2R,3R,4S,5S,6R)-2-[[(2R,3S,4S,5R,6R)-6-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)tetrahydrofuran-2-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-yl]methoxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol

> <PUBCHEM_IUPAC_CAS_NAME>
(2R,3R,4S,5S,6R)-2-[[(2R,3S,4S,5R,6R)-6-[[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)-2-oxolanyl]oxy]-3,4,5-trihydroxy-2-oxanyl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

> <PUBCHEM_IUPAC_NAME_MARKUP>
(2<I>R</I>,3<I>R</I>,4<I>S</I>,5<I>S</I>,6<I>R</I>)-2-[[(2<I>R</I>,3<I>S</I>,4<I>S</I>,5<I>R</I>,6<I>R</I>)-6-[(2<I>S</I>,3<I>S</I>,4<I>S</I>,5<I>R</I>)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

> <PUBCHEM_IUPAC_NAME>
(2R,3R,4S,5S,6R)-2-[[(2R,3S,4S,5R,6R)-6-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(2R,3R,4S,5S,6R)-2-[[(2R,3S,4S,5R,6R)-6-[(2S,3S,4S,5R)-2,5-bis(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxy-3,4,5-tris(oxidanyl)oxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(2R,3R,4S,5S,6R)-2-[[(2R,3S,4S,5R,6R)-6-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-dimethylol-tetrahydrofuran-2-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-yl]methoxy]-6-methylol-tetrahydropyran-3,4,5-triol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C18H32O16/c19-1-5-8(22)11(25)13(27)16(31-5)30-3-7-9(23)12(26)14(28)17(32-7)34-18(4-21)15(29)10(24)6(2-20)33-18/h5-17,19-29H,1-4H2/t5-,6-,7-,8-,9-,10-,11+,12+,13-,14-,15+,16-,17-,18+/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
MUPFEKGTMRGPLJ-WSCXOGSTSA-N

> <PUBCHEM_XLOGP3>
-5.8

> <PUBCHEM_EXACT_MASS>
504.16903493

> <PUBCHEM_MOLECULAR_FORMULA>
C18H32O16

> <PUBCHEM_MOLECULAR_WEIGHT>
504.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
C(C1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3(C(C(C(O3)CO)O)O)CO)O)O)O)O)O)O)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)O[C@]3([C@H]([C@@H]([C@H](O3)CO)O)O)CO)O)O)O)O)O)O)O

> <PUBCHEM_CACTVS_TPSA>
269

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
504.16903493

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
34

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
14

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
17  1  6
20  1  6
25  10  6
29  12  6
30  13  5
32  15  6
21  31  6
23  27  5
33  34  5
28  4  5
18  5  6
19  7  5
22  8  6
24  9  5

$$$$
